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CAS 5140-07-8 (+/-)-trans-1,2-bis-hydroxymethyl-cyclobutane molecular structure lightbox
CAS RN: 5140-07-8

(+/-)-trans-1,2-bis-hydroxymethyl-cyclobutane

  • Product code: SSC-158242
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 5140-07-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

5140-07-8 / [2-(hydroxymethyl)cyclobutyl]methanol

Standard CAS: 5140-07-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
5140-07-8
Multi CAS
No
Molecular Formula
C6H12O2
Molecular Weight
116.160000
Exact Mass
116.083730
InChI
InChI=1S/C6H12O2/c7-3-5-1-2-6(5)4-8/h5-8H,1-4H2
InChIKey
GAADRFVRUBFCML-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
8
Fraction Csp3
1
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
2
Molar refractivity
30.39
TPSA
40.46

LogP / Solubility

MLOGP
-0.01
XLogP3
-0.1
Consensus LogP
-0.04
Log S (ESOL)
-0.43
Class (ESOL)
Very soluble
Log S (Ali)
-0.51
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.65
Class (SILICOS-IT)
Very soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.43

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5

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